2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C11H15N7OS2 — CID 3162014

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C11H15N7OS2/c1-5(2)9-17-18-11(21-9)16-8(19)4-20-10-14-6(12)3-7(13)15-10/h3,5H,4H2,1-2H3,(H,16,18,19)(H4,12,13,14,15)
InChIKeyACTLNZSVPLNQEL-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.35
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3162014) has the molecular formula C11H15N7OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3162014
Molecular FormulaC11H15N7OS2
Molecular Weight325.42 g/mol
Exact Mass325.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
InChIInChI=1S/C11H15N7OS2/c1-5(2)9-17-18-11(21-9)16-8(19)4-20-10-14-6(12)3-7(13)15-10/h3,5H,4H2,1-2H3,(H,16,18,19)(H4,12,13,14,15)
InChIKeyACTLNZSVPLNQEL-UHFFFAOYSA-N
XLogP1.35
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3162014) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ACTLNZSVPLNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS2/c1-5(2)9-17-18-11(21-9)16-8(19)4-20-10-14-6(12)3-7(13)15-10/h3,5H,4H2,1-2H3,(H,16,18,19)(H4,12,13,14,15).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3162014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).